(2-carbazol-9-yldibenzothiophen-4-yl)boronic acid

C24H16BNO2S — CID 140799194

IUPAC(2-carbazol-9-yldibenzothiophen-4-yl)boronic acid
SMILESOB(O)c1cc(-n2c3ccccc3c3ccccc32)cc2c1sc1ccccc12
InChIInChI=1S/C24H16BNO2S/c27-25(28)20-14-15(13-19-18-9-3-6-12-23(18)29-24(19)20)26-21-10-4-1-7-16(21)17-8-2-5-11-22(17)26/h1-14,27-28H
InChIKeyUXJDVQSTWWNNLS-UHFFFAOYSA-N
MW393.28 g/mol
LogP4.83
Rot. Bonds2

About (2-carbazol-9-yldibenzothiophen-4-yl)boronic acid

(2-carbazol-9-yldibenzothiophen-4-yl)boronic acid (PubChem CID 140799194) has the molecular formula C24H16BNO2S and a molecular weight of 393.28 g/mol. Its IUPAC name is (2-carbazol-9-yldibenzothiophen-4-yl)boronic acid.

Molecular Properties

Compound Name(2-carbazol-9-yldibenzothiophen-4-yl)boronic acid
PubChem CID140799194
Molecular FormulaC24H16BNO2S
Molecular Weight393.28 g/mol
Exact Mass393.10
IUPAC Name(2-carbazol-9-yldibenzothiophen-4-yl)boronic acid
SMILESOB(O)c1cc(-n2c3ccccc3c3ccccc32)cc2c1sc1ccccc12
InChIInChI=1S/C24H16BNO2S/c27-25(28)20-14-15(13-19-18-9-3-6-12-23(18)29-24(19)20)26-21-10-4-1-7-16(21)17-8-2-5-11-22(17)26/h1-14,27-28H
InChIKeyUXJDVQSTWWNNLS-UHFFFAOYSA-N
XLogP4.83
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2-carbazol-9-yldibenzothiophen-4-yl)boronic acid;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
CID 157123654
CID 145306738
CID 145306738
3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 176831699
(8-carbazol-9-yldibenzothiophen-2-yl)boronic acid
CID 86730009
3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;dibenzothiophen-4-ylboronic acid;3-dibenzothiophen-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 160899446
5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
CID 90225193
dibenzothiophene;9-phenylcarbazole
CID 142415981
9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 122501076
3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole
CID 168811264
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid
CID 71235174
3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831674

Frequently Asked Questions

What is the IUPAC name of (2-carbazol-9-yldibenzothiophen-4-yl)boronic acid?
The IUPAC name of (2-carbazol-9-yldibenzothiophen-4-yl)boronic acid (CID 140799194) is (2-carbazol-9-yldibenzothiophen-4-yl)boronic acid.
What is the SMILES notation for (2-carbazol-9-yldibenzothiophen-4-yl)boronic acid?
The canonical SMILES for (2-carbazol-9-yldibenzothiophen-4-yl)boronic acid is OB(O)c1cc(-n2c3ccccc3c3ccccc32)cc2c1sc1ccccc12.
What is the InChIKey of (2-carbazol-9-yldibenzothiophen-4-yl)boronic acid?
The InChIKey is UXJDVQSTWWNNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BNO2S/c27-25(28)20-14-15(13-19-18-9-3-6-12-23(18)29-24(19)20)26-21-10-4-1-7-16(21)17-8-2-5-11-22(17)26/h1-14,27-28H.
What are the key properties of (2-carbazol-9-yldibenzothiophen-4-yl)boronic acid?
(2-carbazol-9-yldibenzothiophen-4-yl)boronic acid has a molecular weight of 393.28 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbazol-9-yldibenzothiophen-4-yl)boronic acid is sourced from PubChem (CID 140799194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).